7-methoxy-1-octyl-4-oxoquinoline-3-carboxylic acid

C19H25NO4 — CID 142567537

IUPAC7-methoxy-1-octyl-4-oxoquinoline-3-carboxylic acid
SMILESCCCCCCCCn1cc(C(=O)O)c(=O)c2ccc(OC)cc21
InChIInChI=1S/C19H25NO4/c1-3-4-5-6-7-8-11-20-13-16(19(22)23)18(21)15-10-9-14(24-2)12-17(15)20/h9-10,12-13H,3-8,11H2,1-2H3,(H,22,23)
InChIKeyOVMNVBSANIXPEE-UHFFFAOYSA-N
MW331.41 g/mol
LogP4.07
Rot. Bonds9

About 7-methoxy-1-octyl-4-oxoquinoline-3-carboxylic acid

7-methoxy-1-octyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 142567537) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is 7-methoxy-1-octyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-1-octyl-4-oxoquinoline-3-carboxylic acid
PubChem CID142567537
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name7-methoxy-1-octyl-4-oxoquinoline-3-carboxylic acid
SMILESCCCCCCCCn1cc(C(=O)O)c(=O)c2ccc(OC)cc21
InChIInChI=1S/C19H25NO4/c1-3-4-5-6-7-8-11-20-13-16(19(22)23)18(21)15-10-9-14(24-2)12-17(15)20/h9-10,12-13H,3-8,11H2,1-2H3,(H,22,23)
InChIKeyOVMNVBSANIXPEE-UHFFFAOYSA-N
XLogP4.07
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Oxolinic Acid
CID 4628
Nequinate
CID 26383
1-(4-Methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CID 1476756
7-Methoxy-1-methyl-2-phenyl-4(1H)-quinolinone
CID 253834
6-Butyl-4-hydroxy-3-methoxycarbonyl-7-beta-phenoxyethoxyquinoline
CID 193550
ethyl 6-butyl-4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate
CID 132553883
methyl 4-oxo-6-pentyl-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate
CID 140877888
methyl 6-ethyl-4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate
CID 140877891
methyl 4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate
CID 140877893
methyl 4-oxo-7-(2-phenoxyethoxy)-6-propyl-1H-quinoline-3-carboxylate
CID 140877917
6-butyl-4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylic acid
CID 140877925
methyl 4-oxo-7-(3-phenylpropoxy)-1H-quinoline-3-carboxylate
CID 140877936

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-octyl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 7-methoxy-1-octyl-4-oxoquinoline-3-carboxylic acid (CID 142567537) is 7-methoxy-1-octyl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-methoxy-1-octyl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 7-methoxy-1-octyl-4-oxoquinoline-3-carboxylic acid is CCCCCCCCn1cc(C(=O)O)c(=O)c2ccc(OC)cc21.
What is the InChIKey of 7-methoxy-1-octyl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is OVMNVBSANIXPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-3-4-5-6-7-8-11-20-13-16(19(22)23)18(21)15-10-9-14(24-2)12-17(15)20/h9-10,12-13H,3-8,11H2,1-2H3,(H,22,23).
What are the key properties of 7-methoxy-1-octyl-4-oxoquinoline-3-carboxylic acid?
7-methoxy-1-octyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 331.41 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-octyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 142567537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).